(E)-1,1-diethoxyoct-2-ene

C12H24O2 — CID 12533597

IUPAC(E)-1,1-diethoxyoct-2-ene
SMILESCCCCC/C=C/C(OCC)OCC
InChIInChI=1S/C12H24O2/c1-4-7-8-9-10-11-12(13-5-2)14-6-3/h10-12H,4-9H2,1-3H3/b11-10+
InChIKeyVTQPINQQQFJLGG-ZHACJKMWSA-N
MW200.32 g/mol
LogP3.52
Rot. Bonds9

About (E)-1,1-diethoxyoct-2-ene

(E)-1,1-diethoxyoct-2-ene (PubChem CID 12533597) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (E)-1,1-diethoxyoct-2-ene.

Molecular Properties

Compound Name(E)-1,1-diethoxyoct-2-ene
PubChem CID12533597
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(E)-1,1-diethoxyoct-2-ene
SMILESCCCCC/C=C/C(OCC)OCC
InChIInChI=1S/C12H24O2/c1-4-7-8-9-10-11-12(13-5-2)14-6-3/h10-12H,4-9H2,1-3H3/b11-10+
InChIKeyVTQPINQQQFJLGG-ZHACJKMWSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1-diethoxyoct-2-ene?
The IUPAC name of (E)-1,1-diethoxyoct-2-ene (CID 12533597) is (E)-1,1-diethoxyoct-2-ene.
What is the SMILES notation for (E)-1,1-diethoxyoct-2-ene?
The canonical SMILES for (E)-1,1-diethoxyoct-2-ene is CCCCC/C=C/C(OCC)OCC.
What is the InChIKey of (E)-1,1-diethoxyoct-2-ene?
The InChIKey is VTQPINQQQFJLGG-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-7-8-9-10-11-12(13-5-2)14-6-3/h10-12H,4-9H2,1-3H3/b11-10+.
What are the key properties of (E)-1,1-diethoxyoct-2-ene?
(E)-1,1-diethoxyoct-2-ene has a molecular weight of 200.32 g/mol, XLogP of 3.52, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1-diethoxyoct-2-ene is sourced from PubChem (CID 12533597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).